%chk=000117374.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117374

0 1
 N   -2.772300      0.9632000      0.5090000    
 N   0.6565000     -0.4080000      0.3498000    
 C   -1.740800     -6.4199999E-02  0.4980000    
 C   -1.999200      -1.053800     -0.6428000    
 C  -0.3747000      0.5963000      0.3442000    
 C   -3.384000      -1.683800     -0.4943000    
 C   -4.443100     -0.6294000     -0.2894000    
 C   -4.093600      0.6355000      0.2240000    
 C    1.985000      0.1844000      0.1941000    
 C    3.094400     -0.8839000      0.1191000    
 C   -5.783700     -0.9275000     -0.5722000    
 C   -5.102800       1.594700      0.3934000    
 C    4.452100     -0.2304000     -9.2299998E-02
 C    3.120200      -1.802100       1.347900    
 C   -6.774200      3.3399999E-02 -0.3812000    
 C   -6.433500       1.295300      9.6600004E-02
 C    4.844400      9.3300000E-02  -1.375300    
 C    5.250800      1.9600000E-02   1.005200    
 C    6.088900      0.6926000      -1.569200    
 C    6.495300      0.6191000      0.8112000    
 C    6.914300      0.9556000     -0.4761000    
 H   -1.781000     -0.5997000       1.456400    
 H   -1.253100      -1.856200     -0.6607000    
 H   -1.939300     -0.5353000      -1.609800    
 H  -0.2218000       1.309300       1.164800    
 H  -0.3484000       1.173100     -0.5897000    
 H   -3.395900      -2.362800      0.3669000    
 H   -3.605000      -2.273100      -1.391900    
 H   -2.585500       1.844200      0.9743000    
 H   0.6147000     -0.9398000       1.218000    
 H    2.186800      0.8662000       1.031000    
 H    2.009200      0.7865000     -0.7235000    
 H    2.900100      -1.531700     -0.7480000    
 H   -6.060200      -1.909300     -0.9483000    
 H   -4.858100       2.587000      0.7663000    
 H    2.247900      -2.465900       1.343600    
 H    3.083600      -1.244300       2.290100    
 H    4.002200      -2.453100       1.354900    
 H   -7.810100     -0.2012000     -0.6076000    
 H   -7.203400       2.047900      0.2405000    
 H    4.207000     -0.1065000      -2.231300    
 H    4.956200     -0.2013000       2.024400    
 H    6.414900      0.9553000      -2.571300    
 H    7.136100      0.8295000       1.662600    
 H    7.882700       1.423700     -0.6270000    


%chk=000117374-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117374

0 1
N -2.857857 0.810024 0.721671
N 0.696710 -0.396398 0.578903
C -1.776451 -0.163996 0.511676
C -2.024159 -0.917241 -0.813260
C -0.415996 0.570064 0.530494
C -3.416332 -1.586881 -0.801700
C -4.512769 -0.589681 -0.440359
C -4.181306 0.575647 0.322733
C 2.045820 0.182956 0.420863
C 3.131438 -0.916832 0.239519
C -5.852381 -0.781471 -0.841173
C -5.207719 1.502295 0.664221
C 4.481242 -0.269644 -0.075332
C 3.209822 -1.862014 1.467300
C -6.874522 0.133680 -0.498386
C -6.538996 1.280545 0.259818
C 5.052647 -0.390314 -1.367952
C 5.183786 0.485603 0.901508
C 6.289346 0.220110 -1.679427
C 6.419018 1.098447 0.595502
C 6.977751 0.968521 -0.697563
H -1.768781 -0.920435 1.336632
H -1.220219 -1.660546 -0.952582
H -1.963842 -0.190214 -1.646515
H -0.404893 1.292557 1.390690
H -0.321187 1.173839 -0.392328
H -3.410919 -2.423845 -0.072016
H -3.629906 -2.038863 -1.788654
H -2.679260 1.592150 1.352415
H 0.634070 -0.994068 1.414593
H 2.341003 0.844982 1.274538
H 2.036291 0.821759 -0.483248
H 2.820840 -1.522126 -0.634446
H -6.098930 -1.671450 -1.435391
H -4.953735 2.398043 1.246408
H 2.271857 -2.434162 1.593232
H 3.400437 -1.299946 2.401281
H 4.027825 -2.593606 1.343723
H -7.907045 -0.040534 -0.818410
H -7.313652 2.005955 0.534689
H 4.523877 -0.970182 -2.134925
H 4.768906 0.590761 1.911367
H 6.714324 0.110727 -2.683862
H 6.946452 1.676194 1.363393
H 7.936997 1.441990 -0.935238


